Structure-based design of selective high-affinity telomeric quadruplex-binding ligands

Chem Commun (Camb). 2010 Dec 28;46(48):9116-8. doi: 10.1039/c0cc02917c. Epub 2010 Oct 29.

Abstract

A library of triazole-based telomeric quadruplex-selective ligands has been developed that mimic an established family of tri-substituted acridine-based ligands, using crystal structure data as a starting-point for computer-based design. Binding affinities, estimated by electrospray mass spectrometry, are in accord with the design concept.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Acridines
  • Computer Simulation
  • Drug Design
  • G-Quadruplexes*
  • Ligands
  • Small Molecule Libraries
  • Spectrometry, Mass, Electrospray Ionization
  • Structure-Activity Relationship
  • Telomere / chemistry*
  • Triazoles / chemistry*

Substances

  • Acridines
  • Ligands
  • Small Molecule Libraries
  • Triazoles